1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole

C43H75N9S3 — CID 158126762

IUPAC1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/C9H16N2.2C9H15NS.C8H15N3.C8H14N2S/c1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyFSGRNBGBWPTCLC-UHFFFAOYSA-N
MW814.34 g/mol
LogP14.13
Rot. Bonds10

About 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole

1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole (PubChem CID 158126762) has the molecular formula C43H75N9S3 and a molecular weight of 814.34 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole
PubChem CID158126762
Molecular FormulaC43H75N9S3
Molecular Weight814.34 g/mol
Exact Mass813.53
IUPAC Name1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/C9H16N2.2C9H15NS.C8H15N3.C8H14N2S/c1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyFSGRNBGBWPTCLC-UHFFFAOYSA-N
XLogP14.13
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500814.34
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole
CID 157138075
1,4-Dimethylimidazole;2,4-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole
CID 157908763
1-Methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 158489833
5-Tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole;tetrakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
CID 159613188
5-Tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
CID 159817200
1-Methylimidazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 159999256
1-Methylimidazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 161059400
1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole
CID 162015775
4-isopropyl-2-{1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-1,3-thiazole
CID 146038557

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole?
The IUPAC name of 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole (CID 158126762) is 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole.
What is the SMILES notation for 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole?
The canonical SMILES for 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole is CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.
What is the InChIKey of 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole?
The InChIKey is FSGRNBGBWPTCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2C9H15NS.C8H15N3.C8H14N2S/c1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole?
1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole has a molecular weight of 814.34 g/mol, XLogP of 14.13, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole is sourced from PubChem (CID 158126762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).